Materials Data on AsOsS by Materials Project

Abstract

OsAsS crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Os5+ is bonded to three equivalent As3- and three equivalent S2- atoms to form distorted OsAs3S3 octahedra that share corners with eight equivalent OsAs3S3 octahedra, corners with three equivalent AsOs3S tetrahedra, corners with three equivalent SAsOs3 tetrahedra, and edges with two equivalent OsAs3S3 octahedra. The corner-sharing octahedra tilt angles range from 54–62°. There are a spread of Os–As bond distances ranging from 2.49–2.53 Å. There are two shorter (2.34 Å) and one longer (2.36 Å) Os–S bond lengths. As3- is bonded to three equivalent Os5+ and one S2- atom to form distorted AsOs3S tetrahedra that share corners with three equivalent OsAs3S3 octahedra, corners with four equivalent AsOs3S tetrahedra, corners with nine equivalent SAsOs3 tetrahedra, and an edgeedge with one AsOs3S tetrahedra. The corner-sharing octahedra tilt angles range from 68–73°. The As–S bond length is 2.44 Å. S2- is bonded to three equivalent Os5+ and one As3- atom to form SAsOs3 tetrahedra that share corners with three equivalent OsAs3S3 octahedra, corners with four equivalent SAsOs3 tetrahedra, corners with nine equivalent AsOs3S tetrahedra, and an edgeedge with one SAsOs3 tetrahedra. The corner-sharing octahedra tilt angles range from 76–77°.